#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wek s LYS 3 N 0.00 1.71 0.42 -0.52 1.02 -1.26 -5.10 119.74 116.00 1wek s LYS 3 Ca 0.00 0.15 0.05 0.00 0.02 0.00 0.00 55.97 56.19 1wek s LYS 3 Cb 0.00 -1.92 -0.06 0.00 -0.52 0.00 0.00 37.83 35.33 1wek s LYS 3 CO 0.00 -1.78 0.02 0.15 -0.92 0.00 0.00 175.35 172.82 1wek s LYS 4 N -5.50 1.96 0.68 1.68 1.02 -1.26 -5.12 119.74 113.20 1wek s LYS 4 Ca 0.63 -2.15 -0.17 0.00 0.02 0.00 0.00 55.97 54.30 1wek s LYS 4 Cb -0.12 -1.41 0.01 0.00 -0.52 0.00 0.00 37.83 35.79 1wek s LYS 4 CO 0.50 -0.17 1.26 -2.14 -0.92 0.00 0.00 175.35 173.88 1wek s PRO 5 N -3.78 2.36 0.17 -1.68 0.02 -1.26 -4.83 135.00 126.01 1wek s PRO 5 Ca 0.28 1.94 -0.28 0.00 0.02 0.00 0.00 61.00 62.95 1wek s PRO 5 Cb 0.07 -1.84 -0.01 0.00 0.02 0.00 0.00 34.50 32.75 1wek s PRO 5 CO 0.14 -1.71 1.53 -0.11 -0.33 0.00 0.00 177.00 176.52 1wek n LEU 6 N -2.26 -0.97 -0.31 -5.54 -0.00 -1.26 -1.65 117.00 105.00 1wek n LEU 6 Ca 0.15 1.76 0.04 0.00 -0.00 0.00 0.00 56.01 57.96 1wek n LEU 6 Cb 0.49 -0.26 0.18 0.00 -0.00 0.00 0.00 43.42 43.83 1wek n LEU 6 CO 0.47 -1.46 1.17 0.40 -0.00 0.00 0.00 177.39 177.96 1wek h ILE 7 N 0.00 0.92 0.00 1.96 2.04 -1.99 -0.29 117.51 120.16 1wek h ILE 7 Ca 0.20 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1wek h ILE 7 Cb 0.44 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 1wek h ILE 7 CO -0.94 0.16 0.00 0.47 0.00 0.00 0.00 178.15 177.83 1wek n ASP 8 N -4.70 0.00 -0.80 1.72 9.92 -0.66 -1.25 116.55 120.78 1wek n ASP 8 Ca 0.15 -0.06 0.10 0.00 -0.53 0.00 0.00 54.79 54.45 1wek n ASP 8 Cb 0.29 -0.17 0.29 0.00 -0.64 0.00 0.00 41.12 40.88 1wek n ASP 8 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wek n GLN 9 N -1.17 2.04 -3.23 -1.24 6.02 -0.12 -4.77 117.38 114.90 1wek n GLN 9 Ca 0.06 -1.57 -0.43 0.00 -0.01 0.00 0.00 57.00 55.05 1wek n GLN 9 Cb 0.07 -1.42 -0.08 0.00 1.02 0.00 0.00 30.24 29.83 1wek n GLN 9 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1wek s LEU 10 N -1.42 4.79 -0.08 1.08 1.02 -0.38 -5.04 118.68 118.64 1wek s LEU 10 Ca 0.34 -0.62 -0.00 0.00 0.02 0.00 0.00 54.13 53.87 1wek s LEU 10 Cb 0.19 -2.50 -0.03 0.00 0.02 0.00 0.00 46.19 43.87 1wek s LEU 10 CO 0.27 -0.69 -0.05 -1.00 0.02 0.00 0.00 176.35 174.90 1wek s HIS 11 N 2.40 3.01 0.50 0.29 3.76 -1.26 -5.01 115.29 118.99 1wek s HIS 11 Ca 0.16 0.06 0.23 0.00 -0.15 0.00 0.00 55.06 55.36 1wek s HIS 11 Cb -0.17 -1.75 1.46 0.00 1.11 0.00 0.00 32.58 33.24 1wek s HIS 11 CO 0.15 0.36 2.14 1.12 -0.85 0.00 0.00 174.74 177.65 1wek h HIS 12 N 5.29 0.00 0.00 1.40 2.07 -2.01 -2.29 115.15 119.61 1wek h HIS 12 Ca -0.49 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.01 1wek h HIS 12 Cb 1.18 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.16 1wek h HIS 12 CO 0.59 0.07 -0.13 0.93 -3.07 0.00 0.00 177.93 176.32 1wek h GLU 13 N 0.00 0.00 -2.59 5.12 3.07 -2.02 -3.36 114.58 114.80 1wek h GLU 13 Ca -0.00 0.00 -0.76 0.00 -0.50 0.00 0.00 59.36 58.10 1wek h GLU 13 Cb 0.15 0.00 -0.16 0.00 -0.84 0.00 0.00 28.75 27.90 1wek h GLU 13 CO 0.01 0.13 2.08 -3.47 -1.40 0.00 0.00 179.01 176.35 1wek n ASP 14 N -3.18 7.73 -0.26 1.42 4.64 -0.86 -4.78 116.55 121.25 1wek n ASP 14 Ca 0.02 -3.26 -0.03 0.00 -1.38 0.00 0.00 54.79 50.13 1wek n ASP 14 Cb 0.48 -1.32 0.08 0.00 -1.04 0.00 0.00 41.12 39.31 1wek n ASP 14 CO 0.00 0.00 0.00 0.28 -0.82 0.00 0.00 177.20 176.66 1wek h SER 15 N 4.59 0.79 -0.20 1.67 0.02 -1.80 -2.94 113.55 115.68 1wek h SER 15 Ca 0.64 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.60 1wek h SER 15 Cb 0.33 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 1wek h SER 15 CO 1.42 0.55 0.14 -0.50 -1.14 0.00 0.00 176.83 177.30 1wek h TRP 16 N 0.93 0.22 0.00 3.45 4.06 -1.97 -1.04 115.95 121.60 1wek h TRP 16 Ca 0.29 0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.25 1wek h TRP 16 Cb -0.01 -0.07 0.00 0.00 -1.00 0.00 0.00 29.16 28.07 1wek h TRP 16 CO -0.03 0.13 0.00 -0.09 -3.56 0.00 0.00 178.44 174.89 1wek h ARG 17 N 0.23 0.00 0.00 0.49 2.43 -1.93 -1.69 114.38 113.91 1wek h ARG 17 Ca 0.08 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 1wek h ARG 17 Cb 0.04 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1wek h ARG 17 CO -0.02 0.00 -0.22 -0.07 -1.51 0.00 0.00 179.97 178.15 1wek h LEU 18 N 0.00 0.00 -1.51 3.80 4.07 -1.33 -2.62 115.31 117.72 1wek h LEU 18 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1wek h LEU 18 Cb 0.13 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.87 1wek h LEU 18 CO 0.00 0.22 0.00 -0.26 -1.08 0.00 0.00 178.44 177.32 1wek h PHE 19 N 0.00 0.00 -0.33 1.13 0.04 -1.48 -1.24 116.94 115.06 1wek h PHE 19 Ca -0.00 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.62 1wek h PHE 19 Cb 0.54 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.68 1wek h PHE 19 CO 0.00 0.00 -0.38 0.00 -0.60 0.00 0.00 178.31 177.33 1wek h ARG 20 N 0.00 0.79 0.02 1.51 3.08 -1.65 0.23 114.38 118.35 1wek h ARG 20 Ca 0.00 -0.40 -0.00 0.00 0.07 0.00 0.00 59.98 59.65 1wek h ARG 20 Cb 0.39 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1wek h ARG 20 CO 0.00 1.03 -0.01 0.82 -1.07 0.00 0.00 179.97 180.74 1wek h ILE 21 N 0.65 1.22 -0.97 2.04 2.04 -1.38 -1.77 117.51 119.34 1wek h ILE 21 Ca 0.06 -0.73 0.05 0.00 1.00 0.00 0.00 64.86 65.24 1wek h ILE 21 Cb 0.94 1.72 -0.06 0.00 -0.74 0.00 0.00 36.82 38.67 1wek h ILE 21 CO 0.09 0.19 0.63 -0.07 0.00 0.00 0.00 178.15 178.98 1wek h LEU 22 N -0.34 1.01 -1.09 1.44 3.38 -1.22 -0.60 115.31 117.89 1wek h LEU 22 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1wek h LEU 22 Cb 0.32 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1wek h LEU 22 CO 0.00 0.66 -0.14 0.00 0.09 0.00 0.00 178.44 179.06 1wek h ALA 23 N 1.46 1.24 -0.35 1.53 0.00 -0.43 -2.14 119.26 120.57 1wek h ALA 23 Ca 0.40 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1wek h ALA 23 Cb 0.12 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1wek h ALA 23 CO -0.15 0.49 0.21 1.49 0.00 0.00 0.00 179.25 181.30 1wek h GLU 24 N 0.45 0.47 -0.13 0.00 4.81 -0.21 -1.20 114.58 118.77 1wek h GLU 24 Ca 0.08 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1wek h GLU 24 Cb 0.50 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1wek h GLU 24 CO 0.03 0.36 0.08 0.74 -0.73 0.00 0.00 179.01 179.50 1wek h PHE 25 N 0.45 0.16 -0.17 0.92 -1.00 -1.02 0.16 116.94 116.43 1wek h PHE 25 Ca 0.12 0.00 0.05 0.00 2.81 0.00 0.00 57.97 60.96 1wek h PHE 25 Cb 0.01 -0.05 -0.07 0.00 3.61 0.00 0.00 35.95 39.46 1wek h PHE 25 CO -0.04 0.10 -0.31 0.28 -1.61 0.00 0.00 178.31 176.73 1wek h VAL 26 N 0.17 0.30 -0.56 -0.55 2.07 -1.07 0.71 116.25 117.31 1wek h VAL 26 Ca 0.05 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 1wek h VAL 26 Cb -0.02 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.02 1wek h VAL 26 CO -0.01 0.00 0.30 -0.33 0.02 0.00 0.00 177.57 177.54 1wek h GLU 27 N -0.36 0.79 -0.09 1.57 5.08 -1.07 -0.97 114.58 119.54 1wek h GLU 27 Ca 0.11 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1wek h GLU 27 Cb 0.53 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1wek h GLU 27 CO -0.37 0.62 -0.00 0.78 -1.00 0.00 0.00 179.01 179.04 1wek h GLY 28 N 0.76 0.08 1.18 -3.84 0.00 0.29 0.83 103.07 102.38 1wek h GLY 28 Ca 0.20 0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 1wek h GLY 28 CO -0.03 -0.01 0.46 0.74 0.00 0.00 0.00 176.54 177.70 1wek h PHE 29 N 0.03 1.06 0.27 5.60 0.04 0.64 -2.20 116.94 122.38 1wek h PHE 29 Ca 0.04 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 1wek h PHE 29 Cb 0.05 -0.34 0.00 0.00 2.20 0.00 0.00 35.95 37.86 1wek h PHE 29 CO -0.12 0.71 -0.13 0.93 -0.60 0.00 0.00 178.31 179.10 1wek h GLU 30 N 1.10 -0.35 -0.07 1.51 5.08 -0.63 -1.16 114.58 120.05 1wek h GLU 30 Ca 0.28 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.71 1wek h GLU 30 Cb -0.02 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 1wek h GLU 30 CO -0.05 -0.07 -0.22 1.15 -1.00 0.00 0.00 179.01 178.82 1wek h THR 31 N -0.61 0.48 -0.26 1.13 2.02 -0.71 -2.86 112.91 112.09 1wek h THR 31 Ca -0.04 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.03 1wek h THR 31 Cb 0.44 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 67.32 1wek h THR 31 CO 0.06 0.00 -0.28 -0.07 0.37 0.00 0.00 175.52 175.60 1wek h LEU 32 N -0.31 0.70 -1.81 2.58 4.07 -1.45 -3.26 115.31 115.83 1wek h LEU 32 Ca 0.08 -0.48 -0.03 0.00 0.08 0.00 0.00 57.88 57.53 1wek h LEU 32 Cb 0.42 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 41.96 1wek h LEU 32 CO -0.25 1.04 -0.15 0.77 -1.08 0.00 0.00 178.44 178.77 1wek h SER 33 N 0.38 0.00 1.25 -0.43 4.64 -1.20 -2.43 113.55 115.76 1wek h SER 33 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1wek h SER 33 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1wek h SER 33 CO 0.07 0.15 -0.02 -1.84 -0.87 0.00 0.00 176.83 174.32 1wek n GLU 34 N -3.77 0.15 -2.22 4.77 0.28 -1.08 -4.78 120.64 113.98 1wek n GLU 34 Ca -0.02 0.12 -0.39 0.00 -0.16 0.00 0.00 57.16 56.71 1wek n GLU 34 Cb 0.25 -1.67 -0.02 0.00 1.43 0.00 0.00 31.44 31.44 1wek n GLU 34 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1wek s LEU 35 N -3.84 4.28 -0.06 -1.84 1.43 -0.92 -4.95 118.68 112.78 1wek s LEU 35 Ca 0.12 2.47 0.21 0.00 -1.03 0.00 0.00 54.13 55.90 1wek s LEU 35 Cb 0.15 -3.89 -0.29 0.00 0.03 0.00 0.00 46.19 42.19 1wek s LEU 35 CO 0.57 -0.64 0.42 1.67 0.23 0.00 0.00 176.35 178.61 1wek n GLN 36 N 0.33 0.66 -2.38 1.70 7.27 -1.26 -4.97 117.38 118.73 1wek n GLN 36 Ca 0.03 -0.12 -0.37 0.00 0.07 0.00 0.00 57.00 56.61 1wek n GLN 36 Cb 0.45 -1.55 -0.02 0.00 2.41 0.00 0.00 30.24 31.53 1wek n GLN 36 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 1wek s VAL 37 N -3.24 3.37 0.14 1.69 -7.23 -1.26 -4.97 120.40 108.89 1wek s VAL 37 Ca -0.08 1.07 -0.31 0.00 -1.81 0.00 0.00 61.98 60.84 1wek s VAL 37 Cb 0.12 -3.56 -0.10 0.00 0.56 0.00 0.00 36.38 33.40 1wek s VAL 37 CO 0.88 0.02 1.57 -2.84 -0.31 0.00 0.00 175.10 174.43 1wek s PRO 38 N -2.51 4.22 -0.25 4.82 0.02 -1.26 -4.71 135.00 135.33 1wek s PRO 38 Ca 0.59 2.34 -0.08 0.00 0.02 0.00 0.00 61.00 63.87 1wek s PRO 38 Cb -0.26 -3.25 -0.04 0.00 0.02 0.00 0.00 34.50 30.97 1wek s PRO 38 CO 0.33 -0.62 0.10 -0.51 -0.33 0.00 0.00 177.00 175.97 1wek s LEU 39 N 1.45 3.65 -0.27 -5.54 1.43 -1.26 0.29 118.68 118.42 1wek s LEU 39 Ca 0.70 -0.12 -0.08 0.00 -1.03 0.00 0.00 54.13 53.60 1wek s LEU 39 Cb -0.42 -1.99 -0.02 0.00 0.03 0.00 0.00 46.19 43.79 1wek s LEU 39 CO 0.31 -0.02 0.11 -0.69 0.23 0.00 0.00 176.35 176.30 1wek s VAL 40 N 1.52 4.53 0.26 -1.59 1.01 0.56 -1.13 120.40 125.56 1wek s VAL 40 Ca 0.06 -0.22 -0.26 0.00 0.00 0.00 0.00 61.98 61.56 1wek s VAL 40 Cb -0.15 -3.19 -0.09 0.00 0.00 0.00 0.00 36.38 32.95 1wek s VAL 40 CO 0.05 0.24 0.89 -0.44 0.00 0.00 0.00 175.10 175.84 1wek s SER 41 N 1.63 7.41 -0.00 3.32 0.01 -0.65 -0.92 113.70 124.50 1wek s SER 41 Ca 0.06 1.79 0.01 0.00 1.31 0.00 0.00 55.95 59.12 1wek s SER 41 Cb -0.16 -2.56 -0.00 0.00 0.21 0.00 0.00 66.02 63.51 1wek s SER 41 CO 0.05 0.06 -0.04 -0.69 0.41 0.00 0.00 173.24 173.03 1wek s VAL 42 N -1.40 0.34 0.03 3.43 1.01 0.34 -1.35 120.40 122.80 1wek s VAL 42 Ca 0.44 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.25 1wek s VAL 42 Cb -0.21 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 35.85 1wek s VAL 42 CO 0.26 0.10 -0.05 0.12 0.00 0.00 0.00 175.10 175.53 1wek s PHE 43 N -0.07 0.44 0.10 5.22 5.36 0.72 -4.44 117.98 125.32 1wek s PHE 43 Ca 0.01 -0.47 -0.25 0.00 -0.96 0.00 0.00 56.93 55.26 1wek s PHE 43 Cb -0.02 -0.28 0.09 0.00 -0.34 0.00 0.00 43.02 42.46 1wek s PHE 43 CO -0.00 -0.13 1.13 0.20 -1.46 0.00 0.00 175.22 174.96 1wek s GLY 44 N -1.39 -0.05 0.40 13.12 0.00 -1.26 0.74 107.32 118.88 1wek s GLY 44 Ca -0.12 -0.06 -0.26 0.00 0.00 0.00 0.00 44.72 44.28 1wek s GLY 44 CO -0.00 2.72 1.20 -1.26 0.00 0.00 0.00 173.10 175.76 1wek n SER 45 N -1.01 2.24 -0.77 1.64 2.88 0.09 -4.74 113.62 113.96 1wek n SER 45 Ca -0.02 1.11 0.13 0.00 -1.33 0.00 0.00 58.87 58.75 1wek n SER 45 Cb 0.60 -1.46 0.30 0.00 -0.75 0.00 0.00 64.21 62.90 1wek n SER 45 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wek n ALA 46 N -0.17 2.50 -0.08 -1.46 0.00 -1.26 0.37 120.51 120.41 1wek n ALA 46 Ca 0.07 -0.62 -0.09 0.00 0.00 0.00 0.00 53.44 52.80 1wek n ALA 46 Cb 0.39 -0.98 -0.12 0.00 0.00 0.00 0.00 19.45 18.74 1wek n ALA 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wek n ARG 47 N 0.83 1.28 -2.38 0.00 1.74 -1.26 -3.46 116.66 113.41 1wek n ARG 47 Ca 0.17 0.01 -0.42 0.00 -0.77 0.00 0.00 57.85 56.84 1wek n ARG 47 Cb 0.48 -1.40 -0.02 0.00 -1.02 0.00 0.00 32.46 30.50 1wek n ARG 47 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1wek s PHE 48 N -2.38 2.34 0.00 -1.55 2.99 -1.26 -4.81 117.98 113.30 1wek s PHE 48 Ca -0.11 0.56 0.00 0.00 0.00 0.00 0.00 56.93 57.38 1wek s PHE 48 Cb 0.05 -4.36 0.00 0.00 0.00 0.00 0.00 43.02 38.71 1wek s PHE 48 CO 0.61 -1.95 0.00 0.41 -0.00 0.00 0.00 175.22 174.28 1wek n GLY 49 N 5.19 1.23 3.66 4.36 0.00 -1.26 -2.72 105.19 115.65 1wek n GLY 49 Ca 0.14 -1.98 -0.51 0.00 0.00 0.00 0.00 46.02 43.67 1wek n GLY 49 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wek n GLU 50 N -0.48 1.66 0.00 1.61 1.02 -1.26 -1.75 120.64 121.43 1wek n GLU 50 Ca 0.00 0.60 0.00 0.00 -0.02 0.00 0.00 57.16 57.74 1wek n GLU 50 Cb 0.00 -2.34 0.00 0.00 -0.02 0.00 0.00 31.44 29.08 1wek n GLU 50 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wek n GLY 51 N 3.62 2.08 3.73 0.62 0.00 -1.26 -5.05 105.19 108.94 1wek n GLY 51 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1wek n GLY 51 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1wek s HIS 52 N -2.28 3.49 0.32 1.61 5.04 -0.72 -4.91 115.29 117.85 1wek s HIS 52 Ca 0.00 1.47 0.09 0.00 -1.54 0.00 0.00 55.06 55.08 1wek s HIS 52 Cb 0.00 -3.37 0.89 0.00 0.04 0.00 0.00 32.58 30.14 1wek s HIS 52 CO 0.00 -0.98 1.71 -1.35 -2.34 0.00 0.00 174.74 171.78 1wek h PRO 53 N 5.44 0.47 -0.24 2.88 0.11 -1.97 0.38 132.00 139.07 1wek h PRO 53 Ca -0.44 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.67 1wek h PRO 53 Cb 1.21 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 1wek h PRO 53 CO 0.75 0.31 0.05 0.00 -0.21 0.00 0.00 178.00 178.90 1wek h ALA 54 N 1.75 0.25 -0.58 -0.75 0.00 -1.91 0.82 119.26 118.84 1wek h ALA 54 Ca 0.64 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.58 1wek h ALA 54 Cb 1.27 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 1wek h ALA 54 CO -0.52 -0.37 0.31 -0.92 0.00 0.00 0.00 179.25 177.75 1wek h TYR 55 N 0.14 0.80 -0.25 0.00 3.20 -1.15 0.13 116.97 119.84 1wek h TYR 55 Ca 0.11 -0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.86 1wek h TYR 55 Cb 0.11 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.11 1wek h TYR 55 CO -0.15 0.59 -0.24 0.93 -1.64 0.00 0.00 178.16 177.64 1wek h GLU 56 N 0.78 0.47 -0.15 1.82 4.39 -1.03 -1.06 114.58 119.81 1wek h GLU 56 Ca 0.20 -0.17 -0.16 0.00 0.34 0.00 0.00 59.36 59.57 1wek h GLU 56 Cb 0.06 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 1wek h GLU 56 CO -0.03 0.68 -0.58 0.00 -1.16 0.00 0.00 179.01 177.92 1wek h ALA 57 N 1.33 0.73 -0.06 3.43 0.00 -0.40 -2.61 119.26 121.69 1wek h ALA 57 Ca 0.06 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1wek h ALA 57 Cb 0.65 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1wek h ALA 57 CO 0.05 0.70 0.02 0.78 0.00 0.00 0.00 179.25 180.80 1wek h GLY 58 N 1.17 0.09 0.63 0.00 0.00 -0.15 -1.01 103.07 103.79 1wek h GLY 58 Ca 0.00 -0.05 0.06 0.00 0.00 0.00 0.00 47.33 47.35 1wek h GLY 58 CO 0.10 0.05 0.31 -1.82 0.00 0.00 0.00 176.54 175.18 1wek h TYR 59 N -0.06 0.57 -0.26 5.60 5.03 -1.17 -0.87 116.97 125.80 1wek h TYR 59 Ca 0.02 0.02 -0.09 0.00 2.58 0.00 0.00 58.73 61.27 1wek h TYR 59 Cb 0.16 -0.16 -0.01 0.00 1.55 0.00 0.00 36.73 38.26 1wek h TYR 59 CO -0.02 0.25 -0.21 0.00 -1.32 0.00 0.00 178.16 176.86 1wek h ARG 60 N 0.58 0.47 -0.15 1.82 3.08 -1.31 -1.11 114.38 117.76 1wek h ARG 60 Ca 0.28 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 60.15 1wek h ARG 60 Cb 0.22 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1wek h ARG 60 CO -0.20 0.66 0.02 1.25 -1.07 0.00 0.00 179.97 180.63 1wek h LEU 61 N 0.43 0.25 -0.14 3.04 5.85 -0.32 0.24 115.31 124.66 1wek h LEU 61 Ca 0.07 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.55 1wek h LEU 61 Cb 0.60 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 1wek h LEU 61 CO 0.04 0.45 0.00 1.23 -0.34 0.00 0.00 178.44 179.82 1wek h GLY 62 N 0.04 0.13 0.57 3.75 0.00 -1.00 0.05 103.07 106.61 1wek h GLY 62 Ca 0.05 0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.41 1wek h GLY 62 CO 0.00 -0.02 -0.18 -0.09 0.00 0.00 0.00 176.54 176.25 1wek h ARG 63 N 0.05 -0.29 -0.77 4.80 2.43 -1.11 -1.13 114.38 118.36 1wek h ARG 63 Ca 0.06 0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.36 1wek h ARG 63 Cb 0.07 0.07 -0.08 0.00 -0.42 0.00 0.00 29.97 29.61 1wek h ARG 63 CO -0.10 -0.19 0.40 0.00 -1.51 0.00 0.00 179.97 178.56 1wek h ALA 64 N 0.61 1.10 -0.29 2.80 0.00 -0.57 -1.20 119.26 121.71 1wek h ALA 64 Ca 0.05 0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 1wek h ALA 64 Cb 0.37 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1wek h ALA 64 CO -0.17 -0.04 -0.37 -0.07 0.00 0.00 0.00 179.25 178.61 1wek h LEU 65 N 0.64 0.83 -0.64 0.00 3.38 -0.53 -2.50 115.31 116.49 1wek h LEU 65 Ca 0.39 -0.49 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1wek h LEU 65 Cb 0.46 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1wek h LEU 65 CO -0.30 1.16 0.20 0.00 0.09 0.00 0.00 178.44 179.59 1wek h ALA 66 N 0.69 0.84 0.00 1.53 0.00 -0.91 -0.92 119.26 120.50 1wek h ALA 66 Ca 0.04 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1wek h ALA 66 Cb 0.96 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1wek h ALA 66 CO 0.09 0.51 -0.22 0.93 0.00 0.00 0.00 179.25 180.56 1wek h GLU 67 N 0.93 0.00 -0.05 0.00 5.08 -1.22 -1.63 114.58 117.68 1wek h GLU 67 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1wek h GLU 67 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1wek h GLU 67 CO -0.01 0.22 0.00 0.00 -1.00 0.00 0.00 179.01 178.22 1wek n ALA 68 N -2.35 2.59 -0.05 3.43 0.00 -0.88 -4.91 120.51 118.33 1wek n ALA 68 Ca -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1wek n ALA 68 Cb 0.32 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1wek n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wek n GLY 69 N 1.07 0.51 3.86 0.00 0.00 -0.61 -5.07 105.19 104.94 1wek n GLY 69 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1wek n GLY 69 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wek s PHE 70 N -2.21 3.44 -0.02 1.61 0.40 -0.40 -4.45 117.98 116.35 1wek s PHE 70 Ca 0.00 1.25 -0.02 0.00 -0.60 0.00 0.00 56.93 57.56 1wek s PHE 70 Cb 0.00 -2.60 -0.04 0.00 0.51 0.00 0.00 43.02 40.89 1wek s PHE 70 CO 0.00 -0.17 0.12 0.20 0.70 0.00 0.00 175.22 176.07 1wek s GLY 71 N -2.95 2.08 0.14 4.36 0.00 0.14 -3.83 107.32 107.27 1wek s GLY 71 Ca 0.55 -0.81 0.05 0.00 0.00 0.00 0.00 44.72 44.52 1wek s GLY 71 CO 0.28 -0.67 0.07 -1.34 0.00 0.00 0.00 173.10 171.44 1wek s VAL 72 N -1.21 4.22 -0.07 1.40 -7.23 -1.02 -0.32 120.40 116.16 1wek s VAL 72 Ca 0.23 -1.09 -0.01 0.00 -1.81 0.00 0.00 61.98 59.31 1wek s VAL 72 Cb -0.12 -3.09 0.03 0.00 0.56 0.00 0.00 36.38 33.75 1wek s VAL 72 CO 0.14 -0.02 -0.02 -0.69 -0.31 0.00 0.00 175.10 174.20 1wek s VAL 73 N -1.59 0.48 0.41 1.32 1.01 -0.10 -1.16 120.40 120.76 1wek s VAL 73 Ca 0.29 0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.33 1wek s VAL 73 Cb -0.11 -0.58 -0.02 0.00 0.00 0.00 0.00 36.38 35.67 1wek s VAL 73 CO 0.21 0.26 0.15 0.42 0.00 0.00 0.00 175.10 176.13 1wek s THR 74 N 1.66 0.52 -1.11 3.92 -4.23 -0.11 -0.50 115.64 115.79 1wek s THR 74 Ca 0.01 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 58.71 1wek s THR 74 Cb -0.13 -2.34 0.21 0.00 1.34 0.00 0.00 72.50 71.58 1wek s THR 74 CO -0.04 0.00 1.61 0.61 -0.54 0.00 0.00 174.62 176.26 1wek n GLY 75 N -0.91 -1.10 2.56 3.99 0.00 -1.26 -0.53 105.19 107.94 1wek n GLY 75 Ca -0.05 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1wek n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wek n GLY 76 N 0.44 0.66 0.00 -0.02 0.00 -1.26 -3.52 105.19 101.49 1wek n GLY 76 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1wek n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wek n GLY 77 N -2.33 1.03 0.00 -0.02 0.00 -1.26 -1.48 105.19 101.13 1wek n GLY 77 Ca 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.35 1wek n GLY 77 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wek n PRO 78 N 0.00 1.36 0.00 1.61 -0.04 -1.26 -2.75 135.00 133.92 1wek n PRO 78 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1wek n PRO 78 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1wek n PRO 78 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wek n GLY 79 N 5.00 2.44 1.83 0.55 0.00 -1.22 -3.36 105.19 110.43 1wek n GLY 79 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1wek n GLY 79 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1wek n VAL 80 N 0.00 0.12 0.00 1.61 0.31 0.16 -1.52 118.33 119.01 1wek n VAL 80 Ca 0.00 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1wek n VAL 80 Cb 0.00 -0.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.97 1wek n VAL 80 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1wek n GLU 82 N 1.83 0.00 -0.17 5.55 2.13 -1.11 -0.95 120.64 127.91 1wek n GLU 82 Ca 0.00 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.80 1wek n GLU 82 Cb 0.03 0.00 0.08 0.00 0.27 0.00 0.00 31.44 31.82 1wek n GLU 82 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wek h ALA 83 N 0.00 0.65 -0.13 4.31 0.00 -1.58 0.33 119.26 122.83 1wek h ALA 83 Ca 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1wek h ALA 83 Cb 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1wek h ALA 83 CO 0.00 -0.24 0.03 0.28 0.00 0.00 0.00 179.25 179.32 1wek h VAL 84 N 0.33 1.20 -0.71 0.00 2.07 -1.18 -1.20 116.25 116.77 1wek h VAL 84 Ca 0.26 -0.63 0.01 0.00 0.82 0.00 0.00 66.70 67.16 1wek h VAL 84 Cb 0.32 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 1wek h VAL 84 CO -0.29 0.19 0.47 0.78 0.02 0.00 0.00 177.57 178.73 1wek h ASN 85 N -0.00 0.80 -0.55 0.57 -0.26 -1.72 -2.46 115.58 111.96 1wek h ASN 85 Ca 0.04 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.77 1wek h ASN 85 Cb 0.26 -0.19 -0.03 0.00 -1.06 0.00 0.00 38.32 37.30 1wek h ASN 85 CO 0.00 0.57 0.35 -0.09 -1.06 0.00 0.00 177.43 177.21 1wek h ARG 86 N 0.94 0.73 -0.80 0.81 2.43 -0.21 0.17 114.38 118.45 1wek h ARG 86 Ca 0.26 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.34 1wek h ARG 86 Cb -0.08 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.27 1wek h ARG 86 CO -0.07 0.50 0.33 0.78 -1.51 0.00 0.00 179.97 180.00 1wek h GLY 87 N 0.74 1.27 0.89 2.80 0.00 -0.88 -0.78 103.07 107.12 1wek h GLY 87 Ca 0.20 -0.69 -0.18 0.00 0.00 0.00 0.00 47.33 46.67 1wek h GLY 87 CO -0.04 0.65 -0.68 0.00 0.00 0.00 0.00 176.54 176.47 1wek h ALA 88 N 1.17 0.11 0.54 3.60 0.00 -1.20 -2.85 119.26 120.63 1wek h ALA 88 Ca 0.27 -0.59 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1wek h ALA 88 Cb 0.20 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1wek h ALA 88 CO -0.02 0.43 -0.40 -0.92 0.00 0.00 0.00 179.25 178.33 1wek h TYR 89 N 0.04 -1.08 0.00 0.00 3.20 -0.60 0.54 116.97 119.06 1wek h TYR 89 Ca -0.08 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.79 1wek h TYR 89 Cb 1.37 0.40 0.00 0.00 1.54 0.00 0.00 36.73 40.04 1wek h TYR 89 CO 0.13 -0.59 0.00 0.39 -1.64 0.00 0.00 178.16 176.46 1wek n GLU 90 N -5.52 0.14 -0.19 1.82 1.02 -0.30 -0.47 120.64 117.14 1wek n GLU 90 Ca -0.12 0.55 0.11 0.00 -0.02 0.00 0.00 57.16 57.68 1wek n GLU 90 Cb 0.41 -1.88 0.26 0.00 -0.02 0.00 0.00 31.44 30.22 1wek n GLU 90 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wek n ALA 91 N -1.74 2.44 -1.46 0.62 0.00 -0.83 -4.92 120.51 114.63 1wek n ALA 91 Ca -0.00 -0.89 -0.00 0.00 0.00 0.00 0.00 53.44 52.55 1wek n ALA 91 Cb 0.09 -0.95 -0.00 0.00 0.00 0.00 0.00 19.45 18.60 1wek n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wek n GLY 92 N 1.40 0.38 4.00 0.00 0.00 0.38 -4.80 105.19 106.54 1wek n GLY 92 Ca 0.19 -0.99 -0.18 0.00 0.00 0.00 0.00 46.02 45.03 1wek n GLY 92 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wek s GLY 93 N -2.99 1.78 -0.33 -0.02 0.00 0.18 -5.00 107.32 100.94 1wek s GLY 93 Ca 0.00 -1.52 -0.29 0.00 0.00 0.00 0.00 44.72 42.91 1wek s GLY 93 CO 0.00 -1.36 1.08 0.14 0.00 0.00 0.00 173.10 172.95 1wek s VAL 94 N -2.34 4.49 -0.21 1.40 1.01 -1.26 -4.24 120.40 119.25 1wek s VAL 94 Ca 0.51 1.69 -0.07 0.00 0.00 0.00 0.00 61.98 64.11 1wek s VAL 94 Cb -0.10 -4.43 -0.04 0.00 0.00 0.00 0.00 36.38 31.82 1wek s VAL 94 CO 0.33 -0.52 0.06 -0.55 0.00 0.00 0.00 175.10 174.42 1wek s SER 95 N 1.72 5.39 -0.02 3.32 0.15 -1.26 -2.45 113.70 120.55 1wek s SER 95 Ca 0.45 -0.04 0.07 0.00 0.70 0.00 0.00 55.95 57.14 1wek s SER 95 Cb -0.12 -1.94 -0.02 0.00 -1.71 0.00 0.00 66.02 62.24 1wek s SER 95 CO 0.17 0.09 -0.24 -0.69 1.20 0.00 0.00 173.24 173.77 1wek s VAL 96 N 0.84 1.88 -0.07 4.45 1.01 -0.31 0.43 120.40 128.64 1wek s VAL 96 Ca 0.03 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 61.01 1wek s VAL 96 Cb -0.14 -1.56 0.02 0.00 0.00 0.00 0.00 36.38 34.70 1wek s VAL 96 CO 0.02 0.53 -0.08 -0.83 0.00 0.00 0.00 175.10 174.75 1wek s GLY 97 N -0.52 0.67 -1.10 4.51 0.00 -0.77 -0.93 107.32 109.17 1wek s GLY 97 Ca 0.08 -0.32 -0.12 0.00 0.00 0.00 0.00 44.72 44.37 1wek s GLY 97 CO -0.01 0.48 1.17 1.08 0.00 0.00 0.00 173.10 175.83 1wek s LEU 98 N 1.12 5.92 0.08 0.66 1.43 0.31 -1.60 118.68 126.60 1wek s LEU 98 Ca -0.07 -3.22 -0.29 0.00 -1.03 0.00 0.00 54.13 49.52 1wek s LEU 98 Cb -0.14 -2.28 -0.05 0.00 0.03 0.00 0.00 46.19 43.74 1wek s LEU 98 CO -0.01 -0.51 0.94 0.20 0.23 0.00 0.00 176.35 177.20 1wek s ASN 99 N 2.02 7.44 -0.45 2.29 -0.87 -0.87 -4.47 114.94 120.03 1wek s ASN 99 Ca 0.33 1.72 -0.19 0.00 -1.57 0.00 0.00 52.86 53.15 1wek s ASN 99 Cb -0.07 -2.57 0.03 0.00 -0.02 0.00 0.00 41.25 38.62 1wek s ASN 99 CO -0.06 -0.09 0.58 -0.63 -2.57 0.00 0.00 177.10 174.34 1wek s ILE 100 N 0.16 4.91 -0.28 0.60 1.09 -1.26 0.36 121.20 126.79 1wek s ILE 100 Ca 0.47 -0.15 -0.01 0.00 -1.10 0.00 0.00 60.65 59.86 1wek s ILE 100 Cb -0.23 -4.18 0.04 0.00 -1.06 0.00 0.00 42.46 37.04 1wek s ILE 100 CO 0.29 -0.60 -0.04 -1.61 -0.10 0.00 0.00 174.94 172.88 1wek s GLU 101 N 2.59 2.56 0.00 2.79 2.02 0.23 -4.93 118.70 123.97 1wek s GLU 101 Ca 0.18 -1.16 0.00 0.00 0.02 0.00 0.00 54.97 54.01 1wek s GLU 101 Cb -0.16 -3.08 0.00 0.00 0.10 0.00 0.00 34.13 30.99 1wek s GLU 101 CO 0.16 -0.53 0.05 1.28 0.02 0.00 0.00 175.26 176.23 1wek n LEU 102 N 4.62 0.03 0.00 1.80 4.32 -1.26 -4.65 117.00 121.86 1wek n LEU 102 Ca -0.15 -0.03 0.00 0.00 -0.02 0.00 0.00 56.01 55.82 1wek n LEU 102 Cb 0.45 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.25 1wek n LEU 102 CO 0.26 0.01 0.00 -2.65 -1.22 0.00 0.00 177.39 173.79 1wek n PRO 108 N -0.00 0.00 -1.28 3.23 -0.02 -1.26 -5.25 135.00 130.42 1wek n PRO 108 Ca 0.00 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.15 1wek n PRO 108 Cb 0.26 0.00 0.11 0.00 -0.02 0.00 0.00 33.50 33.85 1wek n PRO 108 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1wek s ASN 109 N 0.00 3.99 -0.02 2.55 2.20 -0.55 -4.92 114.94 118.19 1wek s ASN 109 Ca 0.00 2.28 0.02 0.00 -0.94 0.00 0.00 52.86 54.22 1wek s ASN 109 Cb 0.00 -2.58 0.11 0.00 -2.00 0.00 0.00 41.25 36.78 1wek s ASN 109 CO 0.00 -2.40 0.78 -2.65 -2.94 0.00 0.00 177.10 169.89 1wek n PRO 110 N -3.06 1.46 -2.52 3.55 -0.02 -1.26 -4.34 135.00 128.81 1wek n PRO 110 Ca 0.13 -0.42 -0.26 0.00 -2.02 0.00 0.00 63.50 60.93 1wek n PRO 110 Cb 0.51 -1.46 -0.00 0.00 -0.02 0.00 0.00 33.50 32.52 1wek n PRO 110 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1wek n TYR 111 N 0.01 3.29 -4.70 6.00 4.02 -1.26 -5.01 117.16 119.51 1wek n TYR 111 Ca 0.04 -3.15 -0.31 0.00 -0.01 0.00 0.00 57.90 54.47 1wek n TYR 111 Cb 0.30 -0.12 -0.17 0.00 -0.02 0.00 0.00 39.34 39.33 1wek n TYR 111 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 1wek s GLN 112 N -3.50 2.69 0.02 -0.72 -0.21 -1.26 -4.35 119.66 112.33 1wek s GLN 112 Ca 0.47 -0.74 -0.20 0.00 0.02 0.00 0.00 55.36 54.90 1wek s GLN 112 Cb 0.40 -2.18 -0.17 0.00 1.00 0.00 0.00 33.01 32.06 1wek s GLN 112 CO -0.17 0.01 1.26 1.15 -2.12 0.00 0.00 175.29 175.41 1wek h THR 113 N 5.85 1.39 -3.13 -0.19 2.02 -0.37 -3.42 112.91 115.06 1wek h THR 113 Ca -0.29 -1.56 -0.60 0.00 0.77 0.00 0.00 66.41 64.73 1wek h THR 113 Cb 1.19 2.12 -0.36 0.00 -1.74 0.00 0.00 68.15 69.37 1wek h THR 113 CO 0.51 0.45 -0.83 -1.00 0.37 0.00 0.00 175.52 175.02 1wek s HIS 114 N -3.92 2.13 -0.34 3.16 3.76 -0.44 -4.98 115.29 114.66 1wek s HIS 114 Ca -0.14 -1.18 -0.00 0.00 -0.15 0.00 0.00 55.06 53.59 1wek s HIS 114 Cb 0.04 -1.57 0.08 0.00 1.11 0.00 0.00 32.58 32.25 1wek s HIS 114 CO 0.77 -0.65 0.06 0.00 -0.85 0.00 0.00 174.74 174.07 1wek s ALA 115 N 1.44 2.90 0.19 -1.40 0.00 -1.26 -1.84 121.76 121.79 1wek s ALA 115 Ca 0.04 -2.17 -0.22 0.00 0.00 0.00 0.00 51.96 49.60 1wek s ALA 115 Cb -0.13 -2.04 -0.08 0.00 0.00 0.00 0.00 23.12 20.87 1wek s ALA 115 CO -0.10 -1.52 0.74 -0.51 0.00 0.00 0.00 175.76 174.38 1wek s LEU 116 N 1.12 4.46 -0.41 0.00 1.43 -0.63 -4.98 118.68 119.67 1wek s LEU 116 Ca 0.02 1.52 -0.10 0.00 -1.03 0.00 0.00 54.13 54.54 1wek s LEU 116 Cb -0.20 -3.44 0.06 0.00 0.03 0.00 0.00 46.19 42.64 1wek s LEU 116 CO -0.04 0.12 0.25 -0.44 0.23 0.00 0.00 176.35 176.47 1wek s SER 117 N -1.40 5.69 -0.04 2.29 0.01 -1.26 -2.06 113.70 116.93 1wek s SER 117 Ca 0.39 -1.35 0.02 0.00 1.31 0.00 0.00 55.95 56.32 1wek s SER 117 Cb -0.20 -2.01 -0.03 0.00 0.21 0.00 0.00 66.02 64.00 1wek s SER 117 CO 0.23 -0.50 -0.07 -0.76 0.41 0.00 0.00 173.24 172.55 1wek s LEU 118 N 1.47 3.16 -0.06 2.44 1.43 0.16 -4.92 118.68 122.36 1wek s LEU 118 Ca 0.03 -0.07 0.16 0.00 -1.03 0.00 0.00 54.13 53.21 1wek s LEU 118 Cb -0.22 -1.74 -0.24 0.00 0.03 0.00 0.00 46.19 44.02 1wek s LEU 118 CO 0.04 0.33 0.28 0.54 0.23 0.00 0.00 176.35 177.76 1wek n ARG 119 N 1.95 0.79 -3.93 1.70 5.12 -1.26 -0.60 116.66 120.43 1wek n ARG 119 Ca -0.17 -0.11 -0.35 0.00 -1.93 0.00 0.00 57.85 55.29 1wek n ARG 119 Cb 0.53 -1.40 -0.14 0.00 -1.16 0.00 0.00 32.46 30.28 1wek n ARG 119 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1wek s TYR 120 N -2.94 3.04 0.49 -1.55 1.51 -1.26 -4.92 117.35 111.72 1wek s TYR 120 Ca -0.07 -1.37 0.15 0.00 -1.01 0.00 0.00 57.07 54.77 1wek s TYR 120 Cb 0.09 -2.09 1.15 0.00 -0.11 0.00 0.00 41.96 41.01 1wek s TYR 120 CO 0.69 -0.68 2.10 0.27 -1.11 0.00 0.00 175.55 176.82 1wek h PHE 121 N 8.06 0.05 0.00 2.71 -5.15 -1.99 -2.26 116.94 118.35 1wek h PHE 121 Ca -0.35 -0.00 -0.08 0.00 -0.20 0.00 0.00 57.97 57.34 1wek h PHE 121 Cb 1.12 -0.02 -0.01 0.00 0.22 0.00 0.00 35.95 37.26 1wek h PHE 121 CO 0.58 0.08 -0.40 0.27 -2.00 0.00 0.00 178.31 176.84 1wek h PHE 122 N 0.06 0.00 -0.35 6.09 -5.15 -2.01 -2.49 116.94 113.09 1wek h PHE 122 Ca 0.01 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 57.76 1wek h PHE 122 Cb 0.09 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.24 1wek h PHE 122 CO 0.00 0.40 0.11 0.28 -2.00 0.00 0.00 178.31 177.10 1wek h VAL 123 N 0.00 1.21 -0.96 0.88 2.07 -1.82 -2.67 116.25 114.95 1wek h VAL 123 Ca -0.00 -0.67 0.13 0.00 0.82 0.00 0.00 66.70 66.98 1wek h VAL 123 Cb 0.74 0.99 -0.08 0.00 -1.52 0.00 0.00 31.29 31.43 1wek h VAL 123 CO 0.05 0.23 0.61 -0.09 0.02 0.00 0.00 177.57 178.39 1wek h ARG 124 N 0.41 0.83 -0.45 1.57 2.43 -1.39 -0.95 114.38 116.83 1wek h ARG 124 Ca 0.11 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1wek h ARG 124 Cb 0.25 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 1wek h ARG 124 CO -0.00 0.55 0.21 0.87 -1.51 0.00 0.00 179.97 180.09 1wek h LYS 125 N 0.86 0.63 -0.16 0.20 1.57 -1.11 -0.20 116.57 118.36 1wek h LYS 125 Ca 0.49 -0.07 -0.21 0.00 -1.87 0.00 0.00 60.65 58.98 1wek h LYS 125 Cb 0.61 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.81 1wek h LYS 125 CO -0.25 0.49 -0.74 0.28 -0.57 0.00 0.00 179.45 178.67 1wek h VAL 126 N 0.63 1.28 0.00 0.50 2.07 -1.14 -3.16 116.25 116.43 1wek h VAL 126 Ca 0.16 -1.94 -0.02 0.00 0.82 0.00 0.00 66.70 65.72 1wek h VAL 126 Cb 0.08 1.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1wek h VAL 126 CO -0.02 0.61 -0.09 -0.07 0.02 0.00 0.00 177.57 178.02 1wek h LEU 127 N 0.50 0.00 -1.08 2.57 3.38 -0.32 -1.21 115.31 119.15 1wek h LEU 127 Ca -0.05 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 1wek h LEU 127 Cb 1.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 1wek h LEU 127 CO 0.15 0.09 -0.37 -0.26 0.09 0.00 0.00 178.44 178.15 1wek h PHE 128 N 0.00 0.00 0.00 1.13 0.05 -1.03 -3.36 116.94 113.73 1wek h PHE 128 Ca -0.00 0.00 -0.04 0.00 3.82 0.00 0.00 57.97 61.75 1wek h PHE 128 Cb 0.26 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.20 1wek h PHE 128 CO 0.00 0.37 -1.35 1.33 -0.18 0.00 0.00 178.31 178.48 1wek n VAL 129 N -3.64 0.13 -0.26 -0.55 0.24 -0.94 -4.42 118.33 108.89 1wek n VAL 129 Ca -0.01 -0.19 0.22 0.00 -2.04 0.00 0.00 64.34 62.32 1wek n VAL 129 Cb 0.47 -0.02 0.55 0.00 -1.47 0.00 0.00 33.84 33.37 1wek n VAL 129 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1wek h ARG 130 N 0.00 0.33 0.00 7.34 9.65 -1.38 -2.40 114.38 127.92 1wek h ARG 130 Ca -0.05 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 1wek h ARG 130 Cb 0.65 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.15 1wek h ARG 130 CO 0.00 0.22 -0.05 0.66 2.80 0.00 0.00 179.97 183.60 1wek n TYR 131 N -4.50 0.00 -2.04 2.20 4.02 -1.26 -5.02 117.16 110.56 1wek n TYR 131 Ca 0.21 -0.53 -0.42 0.00 -0.01 0.00 0.00 57.90 57.15 1wek n TYR 131 Cb 0.81 -0.07 -0.03 0.00 -0.02 0.00 0.00 39.34 40.03 1wek n TYR 131 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1wek s ALA 132 N -1.34 3.66 -0.47 -0.72 0.00 -0.91 -4.30 121.76 117.68 1wek s ALA 132 Ca 0.10 1.28 0.21 0.00 0.00 0.00 0.00 51.96 53.54 1wek s ALA 132 Cb 0.09 -3.57 -0.27 0.00 0.00 0.00 0.00 23.12 19.37 1wek s ALA 132 CO 0.01 -0.71 0.65 1.55 0.00 0.00 0.00 175.76 177.26 1wek n VAL 133 N 3.22 0.00 -3.62 0.00 3.14 -0.28 -4.87 118.33 115.92 1wek n VAL 133 Ca 0.10 -0.26 -0.02 0.00 -2.96 0.00 0.00 64.34 61.20 1wek n VAL 133 Cb 0.40 0.49 -0.02 0.00 -1.06 0.00 0.00 33.84 33.65 1wek n VAL 133 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1wek s GLY 134 N -3.69 -0.29 -0.02 7.55 0.00 -1.26 -4.13 107.32 105.48 1wek s GLY 134 Ca -0.00 1.59 0.02 0.00 0.00 0.00 0.00 44.72 46.33 1wek s GLY 134 CO 0.85 0.50 -0.05 -0.12 0.00 0.00 0.00 173.10 174.28 1wek s PHE 135 N -2.17 0.66 -0.08 1.90 5.99 0.34 -1.63 117.98 122.98 1wek s PHE 135 Ca 0.12 -0.15 0.03 0.00 0.00 0.00 0.00 56.93 56.93 1wek s PHE 135 Cb 0.01 -0.52 0.00 0.00 0.00 0.00 0.00 43.02 42.51 1wek s PHE 135 CO -0.04 -0.10 -0.19 0.08 -0.00 0.00 0.00 175.22 174.97 1wek s VAL 136 N 0.38 1.70 -0.15 3.12 1.01 -0.45 0.14 120.40 126.15 1wek s VAL 136 Ca -0.05 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.14 1wek s VAL 136 Cb -0.09 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.82 1wek s VAL 136 CO -0.00 0.48 -0.21 -0.36 0.00 0.00 0.00 175.10 175.01 1wek s PHE 137 N 0.43 2.69 0.39 5.22 0.40 0.95 -0.20 117.98 127.85 1wek s PHE 137 Ca -0.16 -1.37 0.07 0.00 -0.60 0.00 0.00 56.93 54.87 1wek s PHE 137 Cb -0.17 -1.83 -0.01 0.00 0.51 0.00 0.00 43.02 41.52 1wek s PHE 137 CO 0.07 -0.63 0.46 -0.51 0.70 0.00 0.00 175.22 175.31 1wek s LEU 138 N 0.87 3.67 0.05 -0.37 1.43 0.23 -1.68 118.68 122.88 1wek s LEU 138 Ca -0.05 -0.45 -0.37 0.00 -1.03 0.00 0.00 54.13 52.23 1wek s LEU 138 Cb -0.15 -2.48 -0.16 0.00 0.03 0.00 0.00 46.19 43.42 1wek s LEU 138 CO -0.03 -0.59 1.43 -2.65 0.23 0.00 0.00 176.35 174.73 1wek n PRO 139 N -1.66 1.30 -0.89 1.29 -0.02 -1.26 -4.32 135.00 129.45 1wek n PRO 139 Ca 0.04 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1wek n PRO 139 Cb 0.59 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 1wek n PRO 139 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wek n GLY 140 N 2.87 2.05 0.00 -1.23 0.00 -1.26 -0.73 105.19 106.89 1wek n GLY 140 Ca 0.19 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1wek n GLY 140 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wek n GLY 141 N 0.00 2.39 0.15 -0.02 0.00 -1.26 -4.86 105.19 101.58 1wek n GLY 141 Ca 0.00 -0.44 -0.06 0.00 0.00 0.00 0.00 46.02 45.52 1wek n GLY 141 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1wek h PHE 142 N 0.00 0.09 -0.66 1.61 0.05 -2.01 -2.29 116.94 113.73 1wek h PHE 142 Ca 0.00 0.02 0.06 0.00 3.82 0.00 0.00 57.97 61.87 1wek h PHE 142 Cb 0.00 0.01 -0.05 0.00 2.00 0.00 0.00 35.95 37.91 1wek h PHE 142 CO 0.00 0.00 0.37 0.78 -0.18 0.00 0.00 178.31 179.28 1wek h GLY 143 N 0.17 0.97 0.94 -1.45 0.00 -1.97 -0.60 103.07 101.12 1wek h GLY 143 Ca 0.16 -0.26 -0.08 0.00 0.00 0.00 0.00 47.33 47.16 1wek h GLY 143 CO -0.23 0.16 -0.08 -0.84 0.00 0.00 0.00 176.54 175.56 1wek h THR 144 N 0.69 1.28 -0.59 4.70 2.02 -1.81 -1.55 112.91 117.64 1wek h THR 144 Ca 0.29 -1.14 -0.05 0.00 0.77 0.00 0.00 66.41 66.29 1wek h THR 144 Cb 0.17 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 1wek h THR 144 CO -0.17 0.37 0.17 0.25 0.37 0.00 0.00 175.52 176.51 1wek h LEU 145 N 0.46 0.88 -0.41 2.58 5.85 -1.22 0.11 115.31 123.56 1wek h LEU 145 Ca 0.09 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.64 1wek h LEU 145 Cb 0.58 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 1wek h LEU 145 CO 0.03 0.87 0.16 -0.78 -0.34 0.00 0.00 178.44 178.37 1wek h ASP 146 N 0.85 0.18 -0.37 1.25 3.58 -1.02 0.29 116.42 121.18 1wek h ASP 146 Ca 0.19 0.04 -0.12 0.00 0.42 0.00 0.00 57.03 57.56 1wek h ASP 146 Cb 0.31 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 1wek h ASP 146 CO -0.00 0.14 -0.21 -0.08 -2.88 0.00 0.00 179.24 176.20 1wek h GLU 147 N 0.33 0.86 -0.13 0.28 4.22 -0.85 -1.96 114.58 117.33 1wek h GLU 147 Ca 0.18 -0.35 -0.01 0.00 0.08 0.00 0.00 59.36 59.26 1wek h GLU 147 Cb 0.15 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1wek h GLU 147 CO -0.18 0.99 0.05 1.25 -2.18 0.00 0.00 179.01 178.94 1wek h LEU 148 N 0.75 0.19 0.29 1.64 6.46 -0.07 -2.12 115.31 122.45 1wek h LEU 148 Ca 0.10 -0.18 0.00 0.00 -0.12 0.00 0.00 57.88 57.68 1wek h LEU 148 Cb 0.75 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.61 1wek h LEU 148 CO 0.06 0.32 -0.32 0.28 -0.62 0.00 0.00 178.44 178.16 1wek h SER 149 N 0.05 -0.88 -0.46 1.25 0.02 -0.37 0.39 113.55 113.54 1wek h SER 149 Ca 0.04 0.08 0.09 0.00 -0.84 0.00 0.00 61.79 61.17 1wek h SER 149 Cb 0.20 0.31 -0.08 0.00 0.14 0.00 0.00 62.40 62.96 1wek h SER 149 CO -0.00 -0.45 -0.06 -0.08 -1.14 0.00 0.00 176.83 175.09 1wek h GLU 150 N -0.65 0.04 -0.00 3.45 4.81 -1.36 0.10 114.58 120.97 1wek h GLU 150 Ca -0.01 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1wek h GLU 150 Cb 0.61 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 1wek h GLU 150 CO -0.08 0.03 -0.16 0.28 -0.73 0.00 0.00 179.01 178.35 1wek h VAL 151 N 0.05 0.61 -0.92 0.32 2.07 -0.90 0.89 116.25 118.37 1wek h VAL 151 Ca 0.23 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.84 1wek h VAL 151 Cb 0.35 0.61 -0.07 0.00 -1.52 0.00 0.00 31.29 30.65 1wek h VAL 151 CO -0.44 0.00 0.56 -0.07 0.02 0.00 0.00 177.57 177.65 1wek h LEU 152 N -0.26 0.85 -0.30 2.57 3.38 -0.09 0.51 115.31 121.97 1wek h LEU 152 Ca 0.05 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 1wek h LEU 152 Cb 0.33 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1wek h LEU 152 CO -0.16 0.49 -0.13 0.58 0.09 0.00 0.00 178.44 179.32 1wek h VAL 153 N 0.96 1.29 -0.18 1.22 2.07 -0.24 0.97 116.25 122.35 1wek h VAL 153 Ca 0.43 -1.22 -0.05 0.00 0.82 0.00 0.00 66.70 66.67 1wek h VAL 153 Cb 0.33 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1wek h VAL 153 CO -0.23 0.39 -0.14 -0.07 0.02 0.00 0.00 177.57 177.55 1wek h LEU 154 N 0.37 0.27 0.02 2.57 3.38 -0.22 -1.36 115.31 120.34 1wek h LEU 154 Ca 0.07 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1wek h LEU 154 Cb 0.65 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1wek h LEU 154 CO 0.04 0.44 -0.01 -0.07 0.09 0.00 0.00 178.44 178.93 1wek h LEU 155 N 0.27 -0.02 -0.68 1.67 4.07 -0.81 0.34 115.31 120.16 1wek h LEU 155 Ca 0.05 -0.71 0.12 0.00 0.08 0.00 0.00 57.88 57.42 1wek h LEU 155 Cb 0.41 0.01 -0.09 0.00 1.08 0.00 0.00 40.66 42.07 1wek h LEU 155 CO 0.02 0.73 0.23 -0.61 -1.08 0.00 0.00 178.44 177.74 1wek h GLN 156 N -0.80 0.37 -0.60 1.13 4.15 -0.66 -0.64 115.11 118.06 1wek h GLN 156 Ca -0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1wek h GLN 156 Cb 0.73 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.34 1wek h GLN 156 CO 0.00 0.25 0.00 0.25 -1.93 0.00 0.00 178.83 177.40 1wek n THR 157 N -5.04 1.21 -4.00 2.39 -2.24 -0.53 -4.96 114.28 101.12 1wek n THR 157 Ca 0.11 -0.85 -0.27 0.00 -2.27 0.00 0.00 64.05 60.77 1wek n THR 157 Cb 0.35 0.12 -0.03 0.00 -2.10 0.00 0.00 70.33 68.68 1wek n THR 157 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1wek n GLU 158 N 0.89 -2.67 0.00 -0.78 1.02 -0.25 -4.86 120.64 113.99 1wek n GLU 158 Ca 0.19 0.35 0.13 0.00 -0.02 0.00 0.00 57.16 57.81 1wek n GLU 158 Cb 0.64 -4.28 0.34 0.00 -0.02 0.00 0.00 31.44 28.12 1wek n GLU 158 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1wek n LYS 159 N -4.44 0.88 -3.75 3.49 4.76 0.12 -4.90 118.16 114.32 1wek n LYS 159 Ca -0.29 -0.54 -0.12 0.00 -2.87 0.00 0.00 58.31 54.48 1wek n LYS 159 Cb 0.68 -1.49 -0.07 0.00 -1.84 0.00 0.00 35.03 32.31 1wek n LYS 159 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1wek s VAL 160 N -2.50 0.08 0.56 -0.18 0.11 -1.22 -5.05 120.40 112.20 1wek s VAL 160 Ca 0.24 -0.66 -0.20 0.00 -2.93 0.00 0.00 61.98 58.44 1wek s VAL 160 Cb 0.19 -0.91 -0.07 0.00 -1.53 0.00 0.00 36.38 34.07 1wek s VAL 160 CO 0.52 -0.36 0.90 0.00 -3.33 0.00 0.00 175.10 172.84 1wek n HIS 161 N 0.64 0.66 -2.24 1.54 1.44 -1.26 -4.80 115.22 111.20 1wek n HIS 161 Ca -0.19 0.46 -0.38 0.00 -2.01 0.00 0.00 57.72 55.60 1wek n HIS 161 Cb 0.59 -2.13 -0.01 0.00 0.12 0.00 0.00 29.99 28.56 1wek n HIS 161 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1wek s ARG 162 N -2.50 3.89 0.01 -1.40 3.00 -1.26 -5.00 118.95 115.69 1wek s ARG 162 Ca 0.72 1.85 -0.25 0.00 0.00 0.00 0.00 55.73 58.05 1wek s ARG 162 Cb -0.45 -2.55 0.06 0.00 0.00 0.00 0.00 34.95 32.01 1wek s ARG 162 CO 0.50 -0.46 0.55 -0.59 0.00 0.00 0.00 175.30 175.30 1wek s PHE 163 N -1.46 -0.48 0.30 -0.53 -0.12 -1.26 -5.01 117.98 109.42 1wek s PHE 163 Ca 0.60 0.69 -0.29 0.00 -0.05 0.00 0.00 56.93 57.88 1wek s PHE 163 Cb -0.31 0.34 -0.10 0.00 -0.63 0.00 0.00 43.02 42.33 1wek s PHE 163 CO 0.38 -0.60 1.30 -2.14 -0.05 0.00 0.00 175.22 174.11 1wek s PRO 164 N -1.86 4.37 -0.17 1.99 0.02 -1.26 -4.86 135.00 133.24 1wek s PRO 164 Ca -0.08 2.17 0.01 0.00 0.02 0.00 0.00 61.00 63.11 1wek s PRO 164 Cb -0.01 -3.10 0.01 0.00 0.02 0.00 0.00 34.50 31.41 1wek s PRO 164 CO 0.03 -0.19 -0.17 0.08 -0.33 0.00 0.00 177.00 176.42 1wek s VAL 165 N -0.84 2.44 -0.07 3.83 1.01 -1.25 -0.51 120.40 125.01 1wek s VAL 165 Ca 0.51 -0.83 0.05 0.00 0.00 0.00 0.00 61.98 61.70 1wek s VAL 165 Cb -0.39 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.96 1wek s VAL 165 CO 0.49 0.52 -0.23 -0.36 0.00 0.00 0.00 175.10 175.52 1wek s PHE 166 N 1.01 2.34 -0.22 5.22 0.40 0.12 -1.42 117.98 125.44 1wek s PHE 166 Ca -0.02 -0.79 -0.05 0.00 -0.60 0.00 0.00 56.93 55.47 1wek s PHE 166 Cb -0.15 -1.55 -0.02 0.00 0.51 0.00 0.00 43.02 41.81 1wek s PHE 166 CO -0.04 -0.28 0.01 -0.51 0.70 0.00 0.00 175.22 175.10 1wek s LEU 167 N 0.05 3.21 -0.13 -0.37 1.43 0.29 -0.03 118.68 123.12 1wek s LEU 167 Ca -0.09 -0.26 -0.06 0.00 -1.03 0.00 0.00 54.13 52.70 1wek s LEU 167 Cb -0.15 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 1wek s LEU 167 CO 0.05 0.01 0.09 -0.76 0.23 0.00 0.00 176.35 175.97 1wek s LEU 168 N 1.32 4.04 0.00 1.79 1.43 -0.68 -1.05 118.68 125.54 1wek s LEU 168 Ca 0.04 0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 1wek s LEU 168 Cb -0.15 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.09 1wek s LEU 168 CO 0.01 0.33 0.00 -0.67 0.23 0.00 0.00 176.35 176.25 1wek n ASP 169 N 2.51 -0.64 -0.32 2.29 4.64 0.25 -4.27 116.55 121.00 1wek n ASP 169 Ca -0.19 0.00 0.17 0.00 -1.38 0.00 0.00 54.79 53.39 1wek n ASP 169 Cb 0.54 -0.32 0.33 0.00 -1.04 0.00 0.00 41.12 40.63 1wek n ASP 169 CO 0.00 0.00 0.00 0.03 -0.82 0.00 0.00 177.20 176.41 1wek h ARG 170 N 0.00 0.08 -0.48 -0.67 3.08 -1.85 -0.83 114.38 113.70 1wek h ARG 170 Ca 0.00 -0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.11 1wek h ARG 170 Cb 0.22 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.20 1wek h ARG 170 CO 0.00 0.05 0.18 0.78 -1.07 0.00 0.00 179.97 179.91 1wek h GLY 171 N 0.08 0.65 1.34 0.04 0.00 -1.95 -1.75 103.07 101.47 1wek h GLY 171 Ca 0.62 -0.10 -0.15 0.00 0.00 0.00 0.00 47.33 47.70 1wek h GLY 171 CO -0.80 0.02 -0.40 -1.82 0.00 0.00 0.00 176.54 173.54 1wek h TYR 172 N 0.36 0.87 -0.00 5.60 3.20 -1.52 -3.21 116.97 122.27 1wek h TYR 172 Ca 0.23 -0.26 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1wek h TYR 172 Cb 0.23 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.31 1wek h TYR 172 CO -0.15 1.01 -0.27 0.91 -1.64 0.00 0.00 178.16 178.01 1wek n TRP 173 N -4.04 0.00 -0.25 -3.82 7.02 -1.04 -4.50 117.44 110.82 1wek n TRP 173 Ca -0.02 0.00 -0.06 0.00 -1.02 0.00 0.00 57.50 56.40 1wek n TRP 173 Cb 0.53 -0.32 -0.06 0.00 -2.42 0.00 0.00 31.31 29.05 1wek n TRP 173 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1wek n GLU 174 N -1.39 -0.26 -0.25 -0.99 2.13 -0.67 -1.51 120.64 117.70 1wek n GLU 174 Ca 0.07 1.16 0.04 0.00 0.66 0.00 0.00 57.16 59.09 1wek n GLU 174 Cb 0.33 -1.72 0.17 0.00 0.27 0.00 0.00 31.44 30.49 1wek n GLU 174 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1wek h GLY 175 N 0.00 1.08 0.79 8.31 0.00 -1.83 0.20 103.07 111.61 1wek h GLY 175 Ca 0.09 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.27 1wek h GLY 175 CO -0.55 -0.06 -0.02 -2.00 0.00 0.00 0.00 176.54 173.91 1wek h LEU 176 N 0.46 -0.05 -0.94 3.11 7.12 -1.63 -0.25 115.31 123.13 1wek h LEU 176 Ca 0.39 -0.20 -0.03 0.00 0.13 0.00 0.00 57.88 58.17 1wek h LEU 176 Cb 0.54 0.01 -0.04 0.00 -0.53 0.00 0.00 40.66 40.65 1wek h LEU 176 CO -0.37 0.17 0.40 0.58 -0.13 0.00 0.00 178.44 179.09 1wek h VAL 177 N -0.27 1.25 -0.04 1.05 2.07 -0.89 0.13 116.25 119.54 1wek h VAL 177 Ca -0.01 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 1wek h VAL 177 Cb 0.24 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1wek h VAL 177 CO 0.01 0.29 0.03 -0.09 0.02 0.00 0.00 177.57 177.83 1wek h ARG 178 N 1.15 0.06 -0.70 1.57 2.43 -0.45 -1.46 114.38 116.98 1wek h ARG 178 Ca 0.28 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.46 1wek h ARG 178 Cb 0.10 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.60 1wek h ARG 178 CO -0.04 0.11 0.46 2.35 -1.51 0.00 0.00 179.97 181.34 1wek h TRP 179 N 0.00 0.85 -0.35 2.20 7.01 -0.41 -1.57 115.95 123.69 1wek h TRP 179 Ca 0.02 0.02 -0.08 0.00 2.11 0.00 0.00 58.89 60.96 1wek h TRP 179 Cb 0.06 -0.29 -0.02 0.00 -2.10 0.00 0.00 29.16 26.82 1wek h TRP 179 CO -0.05 0.52 -0.10 -0.07 -2.79 0.00 0.00 178.44 175.94 1wek h LEU 180 N 0.90 0.58 -1.10 0.65 3.38 -0.35 -1.24 115.31 118.14 1wek h LEU 180 Ca 0.27 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 1wek h LEU 180 Cb -0.04 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1wek h LEU 180 CO -0.07 0.72 -0.10 0.00 0.09 0.00 0.00 178.44 179.08 1wek h ALA 181 N 1.34 1.26 -0.60 1.53 0.00 -0.31 -1.45 119.26 121.02 1wek h ALA 181 Ca 0.10 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1wek h ALA 181 Cb 0.51 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1wek h ALA 181 CO 0.03 0.49 0.18 0.35 0.00 0.00 0.00 179.25 180.30 1wek h PHE 182 N 0.47 0.94 -0.12 0.00 3.57 -0.61 -1.22 116.94 119.97 1wek h PHE 182 Ca 0.09 -0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 1wek h PHE 182 Cb 0.47 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 1wek h PHE 182 CO 0.02 0.76 -0.11 -0.07 -2.23 0.00 0.00 178.31 176.67 1wek h LEU 183 N 0.88 0.18 -0.31 0.59 3.38 -0.33 -0.61 115.31 119.09 1wek h LEU 183 Ca 0.20 -0.03 -0.20 0.00 0.09 0.00 0.00 57.88 57.94 1wek h LEU 183 Cb 0.27 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1wek h LEU 183 CO -0.01 0.32 -0.83 0.08 0.09 0.00 0.00 178.44 178.09 1wek h ARG 184 N 0.18 0.35 -0.51 1.13 0.11 -0.75 -0.25 114.38 114.64 1wek h ARG 184 Ca 0.04 -0.33 -0.08 0.00 0.10 0.00 0.00 59.98 59.71 1wek h ARG 184 Cb 0.32 0.08 -0.02 0.00 1.11 0.00 0.00 29.97 31.47 1wek h ARG 184 CO 0.02 1.00 -0.00 -0.44 0.10 0.00 0.00 179.97 180.65 1wek h ASP 185 N 0.22 0.83 0.53 0.08 3.32 -0.50 -1.17 116.42 119.74 1wek h ASP 185 Ca -0.05 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.79 1wek h ASP 185 Cb 1.43 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1wek h ASP 185 CO 0.14 0.90 0.00 0.00 -1.72 0.00 0.00 179.24 178.56 1wek n GLN 186 N -4.20 0.21 -1.06 3.56 1.13 -0.31 -4.89 117.38 111.82 1wek n GLN 186 Ca 0.03 0.09 -0.02 0.00 -1.94 0.00 0.00 57.00 55.15 1wek n GLN 186 Cb 0.32 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 29.16 1wek n GLN 186 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1wek n LYS 187 N -1.36 -0.67 0.18 -1.09 4.01 -0.44 -4.87 118.16 113.92 1wek n LYS 187 Ca 0.09 0.35 0.14 0.00 -0.51 0.00 0.00 58.31 58.38 1wek n LYS 187 Cb 0.21 -3.98 0.44 0.00 -0.51 0.00 0.00 35.03 31.19 1wek n LYS 187 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1wek h ALA 188 N 0.00 1.00 -2.90 7.82 0.00 -1.31 -3.44 119.26 120.43 1wek h ALA 188 Ca -0.04 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.39 1wek h ALA 188 Cb 0.40 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.01 1wek h ALA 188 CO 0.07 0.00 -0.77 0.08 0.00 0.00 0.00 179.25 178.63 1wek s VAL 189 N -3.32 1.58 0.76 0.00 1.01 -1.20 -5.02 120.40 114.22 1wek s VAL 189 Ca 0.06 -1.83 -0.11 0.00 0.00 0.00 0.00 61.98 60.10 1wek s VAL 189 Cb 0.09 -1.70 0.05 0.00 0.00 0.00 0.00 36.38 34.82 1wek s VAL 189 CO 0.55 -0.37 1.08 -0.83 0.00 0.00 0.00 175.10 175.54 1wek s GLY 190 N -2.57 1.64 0.13 4.51 0.00 -1.26 -4.71 107.32 105.06 1wek s GLY 190 Ca 0.13 -0.10 -0.29 0.00 0.00 0.00 0.00 44.72 44.46 1wek s GLY 190 CO 0.05 0.29 1.59 -2.55 0.00 0.00 0.00 173.10 172.48 1wek h PRO 191 N -0.97 -0.48 0.00 2.90 0.11 -1.98 -2.81 132.00 128.77 1wek h PRO 191 Ca -0.46 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1wek h PRO 191 Cb 1.25 0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.47 1wek h PRO 191 CO 0.58 -0.32 -0.12 0.39 -0.21 0.00 0.00 178.00 178.33 1wek n GLU 192 N -5.43 0.13 -0.34 1.05 -0.58 -1.26 -4.27 120.64 109.93 1wek n GLU 192 Ca -0.04 0.09 0.17 0.00 -0.42 0.00 0.00 57.16 56.96 1wek n GLU 192 Cb 0.36 -1.63 0.39 0.00 -0.57 0.00 0.00 31.44 29.98 1wek n GLU 192 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1wek h ASP 193 N 0.00 0.67 0.66 1.62 3.45 -1.88 0.20 116.42 121.15 1wek h ASP 193 Ca 0.00 0.12 0.00 0.00 0.43 0.00 0.00 57.03 57.58 1wek h ASP 193 Cb 0.62 0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.39 1wek h ASP 193 CO 0.00 0.15 0.00 0.18 -1.57 0.00 0.00 179.24 178.00 1wek n LEU 194 N -4.81 0.61 0.00 1.55 4.32 -1.26 -2.28 117.00 115.13 1wek n LEU 194 Ca 0.26 0.66 0.12 0.00 -0.02 0.00 0.00 56.01 57.03 1wek n LEU 194 Cb 0.72 -0.59 0.55 0.00 -1.62 0.00 0.00 43.42 42.48 1wek n LEU 194 CO 0.19 -0.56 0.90 0.00 -1.22 0.00 0.00 177.39 176.70 1wek n GLN 195 N -2.18 0.06 0.32 3.23 6.02 0.06 -3.31 117.38 121.59 1wek n GLN 195 Ca 0.02 0.07 0.22 0.00 -0.01 0.00 0.00 57.00 57.29 1wek n GLN 195 Cb 0.21 -1.50 1.15 0.00 1.02 0.00 0.00 30.24 31.12 1wek n GLN 195 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1wek h LEU 196 N 0.00 0.00 -8.78 1.08 3.38 -1.58 -3.44 115.31 105.98 1wek h LEU 196 Ca 0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 1wek h LEU 196 Cb 0.40 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.01 1wek h LEU 196 CO 0.00 0.00 -0.66 0.72 0.09 0.00 0.00 178.44 178.59 1wek s PHE 197 N -4.09 1.40 0.00 1.13 -0.12 -1.21 -3.75 117.98 111.34 1wek s PHE 197 Ca -0.05 -0.97 0.00 0.00 -0.05 0.00 0.00 56.93 55.87 1wek s PHE 197 Cb 0.12 -0.80 -0.00 0.00 -0.63 0.00 0.00 43.02 41.71 1wek s PHE 197 CO 0.38 -0.12 -0.02 1.03 -0.05 0.00 0.00 175.22 176.45 1wek s ARG 198 N -3.89 0.14 0.15 1.99 0.52 -0.51 -5.00 118.95 112.36 1wek s ARG 198 Ca 0.27 -0.09 -0.09 0.00 -0.52 0.00 0.00 55.73 55.29 1wek s ARG 198 Cb 0.06 -0.11 -0.06 0.00 0.52 0.00 0.00 34.95 35.35 1wek s ARG 198 CO 0.07 0.03 0.46 -0.51 0.02 0.00 0.00 175.30 175.37 1wek s LEU 199 N -0.12 4.27 -0.03 2.53 2.01 -1.26 -0.55 118.68 125.53 1wek s LEU 199 Ca -0.00 0.83 -0.30 0.00 0.01 0.00 0.00 54.13 54.67 1wek s LEU 199 Cb -0.01 -3.32 0.07 0.00 0.01 0.00 0.00 46.19 42.94 1wek s LEU 199 CO -0.00 0.06 0.69 -0.89 1.01 0.00 0.00 176.35 177.22 1wek s THR 200 N -1.60 0.00 -1.24 5.49 2.01 -0.22 -4.92 115.64 115.17 1wek s THR 200 Ca 0.40 0.00 0.15 0.00 0.31 0.00 0.00 61.69 62.55 1wek s THR 200 Cb -0.13 -1.00 0.45 0.00 0.01 0.00 0.00 72.50 71.83 1wek s THR 200 CO 0.21 0.00 1.38 0.47 -0.69 0.00 0.00 174.62 175.98 1wek n ASP 201 N 0.73 3.42 -3.68 3.53 8.00 -1.26 0.84 116.55 128.12 1wek n ASP 201 Ca -0.18 -2.07 -0.11 0.00 0.71 0.00 0.00 54.79 53.13 1wek n ASP 201 Cb 0.58 -0.35 -0.09 0.00 -0.02 0.00 0.00 41.12 41.24 1wek n ASP 201 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1wek s GLU 202 N -1.14 0.59 0.35 -1.24 -1.05 -1.26 -4.84 118.70 110.11 1wek s GLU 202 Ca 0.34 0.89 0.12 0.00 -0.15 0.00 0.00 54.97 56.18 1wek s GLU 202 Cb 0.19 0.17 0.95 0.00 -0.44 0.00 0.00 34.13 34.99 1wek s GLU 202 CO 0.22 -0.12 1.75 -1.35 0.95 0.00 0.00 175.26 176.71 1wek h PRO 203 N 6.26 0.52 -0.84 -4.83 0.11 -1.93 -2.19 132.00 129.11 1wek h PRO 203 Ca -0.31 -0.03 0.07 0.00 0.11 0.00 0.00 66.00 65.84 1wek h PRO 203 Cb 1.19 -0.12 -0.05 0.00 0.11 0.00 0.00 31.00 32.13 1wek h PRO 203 CO 0.20 0.35 0.54 1.49 -0.21 0.00 0.00 178.00 180.37 1wek h GLU 204 N 0.54 0.87 -0.63 1.05 4.57 -1.95 -0.60 114.58 118.43 1wek h GLU 204 Ca 0.62 -0.05 -0.09 0.00 -1.18 0.00 0.00 59.36 58.65 1wek h GLU 204 Cb 1.28 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 29.65 1wek h GLU 204 CO -0.39 0.58 0.04 0.93 -1.18 0.00 0.00 179.01 178.98 1wek h GLU 205 N 0.90 1.09 -0.27 1.92 5.08 -1.83 0.08 114.58 121.56 1wek h GLU 205 Ca 0.37 -0.33 0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1wek h GLU 205 Cb 0.27 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 1wek h GLU 205 CO -0.14 1.04 0.09 0.28 -1.00 0.00 0.00 179.01 179.29 1wek h VAL 206 N 1.00 0.93 -0.39 3.13 2.07 -1.28 0.22 116.25 121.93 1wek h VAL 206 Ca 0.18 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.60 1wek h VAL 206 Cb 0.52 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1wek h VAL 206 CO 0.03 0.04 0.11 0.58 0.02 0.00 0.00 177.57 178.34 1wek h VAL 207 N 0.21 1.22 -0.38 2.57 2.07 -0.77 0.49 116.25 121.67 1wek h VAL 207 Ca 0.12 -0.74 -0.04 0.00 0.82 0.00 0.00 66.70 66.86 1wek h VAL 207 Cb 0.09 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1wek h VAL 207 CO -0.12 0.26 0.08 1.56 0.02 0.00 0.00 177.57 179.36 1wek h GLN 208 N 0.48 0.56 0.26 1.57 1.08 -0.78 0.15 115.11 118.42 1wek h GLN 208 Ca 0.12 -0.10 -0.01 0.00 -1.45 0.00 0.00 58.65 57.22 1wek h GLN 208 Cb 0.28 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 1wek h GLN 208 CO -0.00 0.52 -0.12 0.00 -0.95 0.00 0.00 178.83 178.28 1wek h ALA 209 N 1.55 -0.35 -0.90 3.87 0.00 -0.55 -2.42 119.26 120.46 1wek h ALA 209 Ca 0.13 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 54.94 1wek h ALA 209 Cb 0.23 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 1wek h ALA 209 CO -0.00 -0.51 0.55 -0.07 0.00 0.00 0.00 179.25 179.22 1wek h LEU 210 N -0.71 0.81 -0.02 0.00 3.38 -0.68 -1.67 115.31 116.41 1wek h LEU 210 Ca -0.04 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.01 1wek h LEU 210 Cb 0.49 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.06 1wek h LEU 210 CO 0.06 0.47 -0.46 0.11 0.09 0.00 0.00 178.44 178.71 1wek h LYS 211 N 0.92 -0.57 0.00 1.13 1.79 -0.89 -3.51 116.57 115.43 1wek h LYS 211 Ca 0.43 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.94 1wek h LYS 211 Cb 0.36 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 1wek h LYS 211 CO -0.24 -0.38 0.00 0.00 -1.08 0.00 0.00 179.45 177.75